Probing the Effect of Conformational Constraint on Phosphorylated Ligand Binding to an SH2 Domain Using Polarizable Force Field Simulations
نویسندگان
چکیده
منابع مشابه
Probing the effect of conformational constraint on phosphorylated ligand binding to an SH2 domain using polarizable force field simulations.
Preorganizing a ligand in the conformation it adopts upon binding to a protein has long been considered to be an effective way to improve affinity by making the binding entropy more favorable. However, recent thermodynamic studies of a series of complexes of the Grb2 SH2 domain with peptide analogues having constrained and flexible replacements for a phosphotyrosine residue revealed that less f...
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ژورنال
عنوان ژورنال: The Journal of Physical Chemistry B
سال: 2012
ISSN: 1520-6106,1520-5207
DOI: 10.1021/jp210265d